methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate

C13H22N2O4 — CID 47423995

IUPACmethyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate
SMILESCCCC(=O)NCC(=O)NC1(C(=O)OC)CCCC1
InChIInChI=1S/C13H22N2O4/c1-3-6-10(16)14-9-11(17)15-13(12(18)19-2)7-4-5-8-13/h3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyGMUWCIKCBSIITH-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.50
Rot. Bonds6

About methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate

methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate (PubChem CID 47423995) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate
PubChem CID47423995
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namemethyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate
SMILESCCCC(=O)NCC(=O)NC1(C(=O)OC)CCCC1
InChIInChI=1S/C13H22N2O4/c1-3-6-10(16)14-9-11(17)15-13(12(18)19-2)7-4-5-8-13/h3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyGMUWCIKCBSIITH-UHFFFAOYSA-N
XLogP0.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate (CID 47423995) is methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate is CCCC(=O)NCC(=O)NC1(C(=O)OC)CCCC1.
What is the InChIKey of methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate?
The InChIKey is GMUWCIKCBSIITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-6-10(16)14-9-11(17)15-13(12(18)19-2)7-4-5-8-13/h3-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate?
methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 47423995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).